UCSF

ZINC08844396

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2007 24 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.39 -2.78 -11.04 2 4 0 62 319.36 2
Lo Low (pH 4.5-6) 3.39 -2.55 -33.31 3 4 1 63 320.368 2

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )